USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 712 CYS SG : rot 180:sc= 0 USER MOD Single : B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 720 THR OG1 : rot 180:sc= 0 USER MOD Single : B 722 HIS : no HE2:sc= 0.744 K(o=0.74,f=-2.6!) USER MOD Single : B 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 729 LYS NZ :NH3+ -164:sc= -0.0689 (180deg=-0.516) USER MOD Single : B 744 ASN :FLIP amide:sc= -0.0566 F(o=-1!,f=-0.057) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -164:sc= -0.0264 (180deg=-0.321) USER MOD Single : B 751 THR OG1 : rot -1:sc= 0.499 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 64:sc= 0.107 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.00107 USER MOD Single : B 756 ASN : amide:sc= -0.659 K(o=-0.66,f=-2!) USER MOD Single : B 758 THR OG1 : rot 146:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -23.505 -15.501 17.159 1.00 0.00 N ATOM 13 CA PRO B 710 -23.035 -15.769 15.764 1.00 0.00 C ATOM 14 C PRO B 710 -21.796 -14.945 15.409 1.00 0.00 C ATOM 15 O PRO B 710 -21.049 -15.293 14.496 1.00 0.00 O ATOM 16 CB PRO B 710 -24.240 -15.377 14.892 1.00 0.00 C ATOM 17 CG PRO B 710 -25.018 -14.405 15.719 1.00 0.00 C ATOM 18 CD PRO B 710 -24.815 -14.828 17.174 1.00 0.00 C ATOM 0 HA PRO B 710 -22.729 -16.805 15.622 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -23.918 -14.927 13.953 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -24.843 -16.249 14.637 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -24.666 -13.386 15.557 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -26.074 -14.424 15.451 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -24.817 -13.969 17.845 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -25.606 -15.498 17.511 1.00 0.00 H new ATOM 26 N GLU B 711 -21.590 -13.852 16.136 1.00 0.00 N ATOM 27 CA GLU B 711 -20.446 -12.985 15.885 1.00 0.00 C ATOM 28 C GLU B 711 -19.143 -13.756 16.064 1.00 0.00 C ATOM 29 O GLU B 711 -18.161 -13.504 15.367 1.00 0.00 O ATOM 30 CB GLU B 711 -20.474 -11.793 16.844 1.00 0.00 C ATOM 31 CG GLU B 711 -21.681 -10.909 16.523 1.00 0.00 C ATOM 32 CD GLU B 711 -21.766 -9.759 17.520 1.00 0.00 C ATOM 33 OE1 GLU B 711 -20.895 -9.673 18.370 1.00 0.00 O ATOM 34 OE2 GLU B 711 -22.701 -8.982 17.420 1.00 0.00 O ATOM 0 H GLU B 711 -22.196 -13.547 16.898 1.00 0.00 H new ATOM 0 HA GLU B 711 -20.503 -12.624 14.858 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -20.530 -12.143 17.875 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -19.553 -11.217 16.752 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -21.595 -10.517 15.510 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -22.596 -11.501 16.560 1.00 0.00 H new ATOM 41 N CYS B 712 -19.143 -14.698 17.001 1.00 0.00 N ATOM 42 CA CYS B 712 -17.954 -15.502 17.258 1.00 0.00 C ATOM 43 C CYS B 712 -17.604 -16.353 16.041 1.00 0.00 C ATOM 44 O CYS B 712 -16.432 -16.529 15.712 1.00 0.00 O ATOM 45 CB CYS B 712 -18.193 -16.411 18.464 1.00 0.00 C ATOM 46 SG CYS B 712 -18.349 -15.402 19.958 1.00 0.00 S ATOM 0 H CYS B 712 -19.945 -14.922 17.590 1.00 0.00 H new ATOM 0 HA CYS B 712 -17.122 -14.829 17.465 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -19.097 -17.001 18.315 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -17.367 -17.115 18.572 1.00 0.00 H new ATOM 0 HG CYS B 712 -18.555 -16.174 20.984 1.00 0.00 H new ATOM 52 N LEU B 713 -18.628 -16.882 15.380 1.00 0.00 N ATOM 53 CA LEU B 713 -18.413 -17.716 14.204 1.00 0.00 C ATOM 54 C LEU B 713 -17.749 -16.912 13.091 1.00 0.00 C ATOM 55 O LEU B 713 -16.841 -17.398 12.418 1.00 0.00 O ATOM 56 CB LEU B 713 -19.754 -18.270 13.711 1.00 0.00 C ATOM 57 CG LEU B 713 -20.310 -19.283 14.723 1.00 0.00 C ATOM 58 CD1 LEU B 713 -21.755 -19.628 14.345 1.00 0.00 C ATOM 59 CD2 LEU B 713 -19.452 -20.565 14.735 1.00 0.00 C ATOM 0 H LEU B 713 -19.607 -16.750 15.636 1.00 0.00 H new ATOM 0 HA LEU B 713 -17.756 -18.541 14.478 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -20.464 -17.455 13.573 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -19.624 -18.748 12.740 1.00 0.00 H new ATOM 0 HG LEU B 713 -20.283 -18.843 15.720 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -22.156 -20.347 15.059 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -22.362 -18.723 14.362 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -21.776 -20.060 13.345 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -19.862 -21.270 15.458 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -19.459 -21.017 13.743 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -18.428 -20.315 15.012 1.00 0.00 H new ATOM 71 N ILE B 714 -18.207 -15.680 12.901 1.00 0.00 N ATOM 72 CA ILE B 714 -17.644 -14.825 11.865 1.00 0.00 C ATOM 73 C ILE B 714 -16.180 -14.514 12.163 1.00 0.00 C ATOM 74 O ILE B 714 -15.330 -14.572 11.274 1.00 0.00 O ATOM 75 CB ILE B 714 -18.436 -13.524 11.781 1.00 0.00 C ATOM 76 CG1 ILE B 714 -19.928 -13.840 11.606 1.00 0.00 C ATOM 77 CG2 ILE B 714 -17.936 -12.686 10.602 1.00 0.00 C ATOM 78 CD1 ILE B 714 -20.159 -14.761 10.400 1.00 0.00 C ATOM 0 H ILE B 714 -18.958 -15.255 13.444 1.00 0.00 H new ATOM 0 HA ILE B 714 -17.704 -15.351 10.912 1.00 0.00 H new ATOM 0 HB ILE B 714 -18.296 -12.957 12.701 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -20.311 -14.315 12.509 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -20.486 -12.913 11.472 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -18.506 -11.758 10.548 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -16.880 -12.456 10.741 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -18.066 -13.246 9.676 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -21.224 -14.969 10.299 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -19.797 -14.273 9.495 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -19.619 -15.696 10.548 1.00 0.00 H new ATOM 90 N TRP B 715 -15.890 -14.183 13.417 1.00 0.00 N ATOM 91 CA TRP B 715 -14.524 -13.864 13.813 1.00 0.00 C ATOM 92 C TRP B 715 -13.607 -15.064 13.592 1.00 0.00 C ATOM 93 O TRP B 715 -12.534 -14.938 13.000 1.00 0.00 O ATOM 94 CB TRP B 715 -14.494 -13.460 15.289 1.00 0.00 C ATOM 95 CG TRP B 715 -13.080 -13.222 15.712 1.00 0.00 C ATOM 96 CD1 TRP B 715 -12.415 -12.053 15.573 1.00 0.00 C ATOM 97 CD2 TRP B 715 -12.149 -14.153 16.336 1.00 0.00 C ATOM 98 NE1 TRP B 715 -11.133 -12.208 16.071 1.00 0.00 N ATOM 99 CE2 TRP B 715 -10.922 -13.484 16.554 1.00 0.00 C ATOM 100 CE3 TRP B 715 -12.249 -15.500 16.731 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -9.832 -14.127 17.141 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -11.154 -16.150 17.323 1.00 0.00 C ATOM 103 CH2 TRP B 715 -9.948 -15.465 17.528 1.00 0.00 C ATOM 0 H TRP B 715 -16.576 -14.129 14.170 1.00 0.00 H new ATOM 0 HA TRP B 715 -14.170 -13.035 13.200 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -15.087 -12.559 15.442 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -14.941 -14.244 15.901 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -12.818 -11.147 15.144 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -10.430 -11.469 16.080 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -13.173 -16.037 16.578 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -8.905 -13.595 17.295 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -11.241 -17.184 17.622 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -9.110 -15.971 17.984 1.00 0.00 H new ATOM 114 N LYS B 716 -14.039 -16.224 14.072 1.00 0.00 N ATOM 115 CA LYS B 716 -13.250 -17.442 13.930 1.00 0.00 C ATOM 116 C LYS B 716 -13.034 -17.770 12.457 1.00 0.00 C ATOM 117 O LYS B 716 -11.981 -18.281 12.073 1.00 0.00 O ATOM 118 CB LYS B 716 -13.965 -18.608 14.613 1.00 0.00 C ATOM 119 CG LYS B 716 -13.041 -19.827 14.644 1.00 0.00 C ATOM 120 CD LYS B 716 -13.686 -20.947 15.471 1.00 0.00 C ATOM 121 CE LYS B 716 -14.862 -21.569 14.708 1.00 0.00 C ATOM 122 NZ LYS B 716 -15.230 -22.869 15.345 1.00 0.00 N ATOM 0 H LYS B 716 -14.926 -16.347 14.560 1.00 0.00 H new ATOM 0 HA LYS B 716 -12.280 -17.283 14.402 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -14.251 -18.329 15.627 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -14.884 -18.849 14.078 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -12.850 -20.176 13.629 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -12.077 -19.554 15.074 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -12.945 -21.714 15.696 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -14.033 -20.549 16.425 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -15.716 -20.892 14.717 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -14.591 -21.726 13.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -16.027 -23.294 14.830 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -14.415 -23.514 15.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -15.505 -22.705 16.335 1.00 0.00 H new ATOM 136 N LEU B 717 -14.032 -17.471 11.635 1.00 0.00 N ATOM 137 CA LEU B 717 -13.932 -17.739 10.208 1.00 0.00 C ATOM 138 C LEU B 717 -12.766 -16.955 9.619 1.00 0.00 C ATOM 139 O LEU B 717 -12.032 -17.460 8.770 1.00 0.00 O ATOM 140 CB LEU B 717 -15.234 -17.343 9.499 1.00 0.00 C ATOM 141 CG LEU B 717 -15.144 -17.649 7.995 1.00 0.00 C ATOM 142 CD1 LEU B 717 -14.957 -19.160 7.768 1.00 0.00 C ATOM 143 CD2 LEU B 717 -16.433 -17.178 7.311 1.00 0.00 C ATOM 0 H LEU B 717 -14.912 -17.047 11.929 1.00 0.00 H new ATOM 0 HA LEU B 717 -13.763 -18.806 10.061 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -16.072 -17.885 9.937 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -15.428 -16.281 9.649 1.00 0.00 H new ATOM 0 HG LEU B 717 -14.287 -17.125 7.571 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -14.895 -19.362 6.699 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -14.039 -19.490 8.254 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -15.805 -19.699 8.191 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -16.377 -17.391 6.244 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -17.286 -17.702 7.742 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -16.553 -16.105 7.461 1.00 0.00 H new ATOM 155 N LEU B 718 -12.606 -15.720 10.074 1.00 0.00 N ATOM 156 CA LEU B 718 -11.529 -14.873 9.584 1.00 0.00 C ATOM 157 C LEU B 718 -10.173 -15.490 9.916 1.00 0.00 C ATOM 158 O LEU B 718 -9.234 -15.408 9.124 1.00 0.00 O ATOM 159 CB LEU B 718 -11.634 -13.479 10.211 1.00 0.00 C ATOM 160 CG LEU B 718 -12.908 -12.778 9.718 1.00 0.00 C ATOM 161 CD1 LEU B 718 -13.117 -11.494 10.526 1.00 0.00 C ATOM 162 CD2 LEU B 718 -12.793 -12.435 8.218 1.00 0.00 C ATOM 0 H LEU B 718 -13.204 -15.285 10.777 1.00 0.00 H new ATOM 0 HA LEU B 718 -11.619 -14.787 8.501 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -11.651 -13.560 11.298 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -10.758 -12.886 9.949 1.00 0.00 H new ATOM 0 HG LEU B 718 -13.758 -13.447 9.855 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -14.020 -10.990 10.182 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -13.220 -11.742 11.582 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -12.260 -10.835 10.390 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -13.705 -11.939 7.887 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -11.942 -11.772 8.061 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -12.650 -13.351 7.645 1.00 0.00 H new ATOM 174 N ILE B 719 -10.068 -16.099 11.091 1.00 0.00 N ATOM 175 CA ILE B 719 -8.812 -16.711 11.502 1.00 0.00 C ATOM 176 C ILE B 719 -8.419 -17.820 10.525 1.00 0.00 C ATOM 177 O ILE B 719 -7.259 -17.924 10.125 1.00 0.00 O ATOM 178 CB ILE B 719 -8.976 -17.305 12.896 1.00 0.00 C ATOM 179 CG1 ILE B 719 -9.562 -16.243 13.834 1.00 0.00 C ATOM 180 CG2 ILE B 719 -7.621 -17.776 13.425 1.00 0.00 C ATOM 181 CD1 ILE B 719 -8.722 -14.964 13.810 1.00 0.00 C ATOM 0 H ILE B 719 -10.827 -16.182 11.768 1.00 0.00 H new ATOM 0 HA ILE B 719 -8.031 -15.950 11.509 1.00 0.00 H new ATOM 0 HB ILE B 719 -9.651 -18.160 12.848 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -10.586 -16.015 13.536 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -9.605 -16.635 14.850 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -7.747 -18.199 14.422 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -7.214 -18.535 12.757 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -6.935 -16.930 13.474 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -9.160 -14.228 14.484 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -7.705 -15.190 14.131 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -8.701 -14.561 12.797 1.00 0.00 H new ATOM 193 N THR B 720 -9.391 -18.645 10.140 1.00 0.00 N ATOM 194 CA THR B 720 -9.127 -19.737 9.206 1.00 0.00 C ATOM 195 C THR B 720 -8.680 -19.191 7.851 1.00 0.00 C ATOM 196 O THR B 720 -7.723 -19.685 7.258 1.00 0.00 O ATOM 197 CB THR B 720 -10.386 -20.586 9.021 1.00 0.00 C ATOM 198 OG1 THR B 720 -10.765 -21.142 10.272 1.00 0.00 O ATOM 199 CG2 THR B 720 -10.099 -21.712 8.027 1.00 0.00 C ATOM 0 H THR B 720 -10.358 -18.580 10.456 1.00 0.00 H new ATOM 0 HA THR B 720 -8.329 -20.354 9.620 1.00 0.00 H new ATOM 0 HB THR B 720 -11.195 -19.963 8.639 1.00 0.00 H new ATOM 0 HG1 THR B 720 -11.573 -21.685 10.157 1.00 0.00 H new ATOM 0 HG21 THR B 720 -10.996 -22.318 7.894 1.00 0.00 H new ATOM 0 HG22 THR B 720 -9.805 -21.285 7.068 1.00 0.00 H new ATOM 0 HG23 THR B 720 -9.292 -22.337 8.409 1.00 0.00 H new ATOM 207 N ILE B 721 -9.384 -18.171 7.371 1.00 0.00 N ATOM 208 CA ILE B 721 -9.060 -17.563 6.084 1.00 0.00 C ATOM 209 C ILE B 721 -7.672 -16.932 6.131 1.00 0.00 C ATOM 210 O ILE B 721 -6.898 -17.041 5.183 1.00 0.00 O ATOM 211 CB ILE B 721 -10.098 -16.497 5.721 1.00 0.00 C ATOM 212 CG1 ILE B 721 -11.453 -17.171 5.481 1.00 0.00 C ATOM 213 CG2 ILE B 721 -9.661 -15.778 4.438 1.00 0.00 C ATOM 214 CD1 ILE B 721 -12.547 -16.107 5.387 1.00 0.00 C ATOM 0 H ILE B 721 -10.179 -17.749 7.851 1.00 0.00 H new ATOM 0 HA ILE B 721 -9.071 -18.344 5.323 1.00 0.00 H new ATOM 0 HB ILE B 721 -10.182 -15.778 6.536 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -11.421 -17.756 4.562 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -11.675 -17.864 6.293 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -10.398 -15.019 4.177 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -8.693 -15.304 4.598 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -9.581 -16.500 3.625 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -13.510 -16.589 5.216 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -12.585 -15.541 6.318 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -12.328 -15.432 4.560 1.00 0.00 H new ATOM 226 N HIS B 722 -7.371 -16.261 7.235 1.00 0.00 N ATOM 227 CA HIS B 722 -6.079 -15.604 7.387 1.00 0.00 C ATOM 228 C HIS B 722 -4.945 -16.612 7.225 1.00 0.00 C ATOM 229 O HIS B 722 -3.847 -16.260 6.796 1.00 0.00 O ATOM 230 CB HIS B 722 -5.989 -14.955 8.768 1.00 0.00 C ATOM 231 CG HIS B 722 -4.654 -14.280 8.922 1.00 0.00 C ATOM 232 ND1 HIS B 722 -4.383 -13.041 8.364 1.00 0.00 N ATOM 233 CD2 HIS B 722 -3.503 -14.660 9.568 1.00 0.00 C ATOM 234 CE1 HIS B 722 -3.114 -12.722 8.679 1.00 0.00 C ATOM 235 NE2 HIS B 722 -2.532 -13.675 9.413 1.00 0.00 N ATOM 0 H HIS B 722 -7.998 -16.157 8.033 1.00 0.00 H new ATOM 0 HA HIS B 722 -5.985 -14.840 6.616 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -6.792 -14.228 8.892 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -6.118 -15.709 9.544 1.00 0.00 H new ATOM 0 HD1 HIS B 722 -5.028 -12.474 7.814 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -3.371 -15.583 10.113 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -2.626 -11.808 8.376 1.00 0.00 H new ATOM 244 N ASP B 723 -5.220 -17.867 7.566 1.00 0.00 N ATOM 245 CA ASP B 723 -4.213 -18.916 7.446 1.00 0.00 C ATOM 246 C ASP B 723 -3.961 -19.249 5.978 1.00 0.00 C ATOM 247 O ASP B 723 -3.038 -19.990 5.648 1.00 0.00 O ATOM 248 CB ASP B 723 -4.682 -20.173 8.181 1.00 0.00 C ATOM 249 CG ASP B 723 -3.593 -21.239 8.139 1.00 0.00 C ATOM 250 OD1 ASP B 723 -2.483 -20.910 7.757 1.00 0.00 O ATOM 251 OD2 ASP B 723 -3.886 -22.370 8.491 1.00 0.00 O ATOM 0 H ASP B 723 -6.122 -18.181 7.924 1.00 0.00 H new ATOM 0 HA ASP B 723 -3.285 -18.558 7.891 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -4.925 -19.930 9.215 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -5.594 -20.554 7.721 1.00 0.00 H new ATOM 256 N ARG B 724 -4.797 -18.697 5.104 1.00 0.00 N ATOM 257 CA ARG B 724 -4.667 -18.942 3.672 1.00 0.00 C ATOM 258 C ARG B 724 -3.597 -18.034 3.071 1.00 0.00 C ATOM 259 O ARG B 724 -3.416 -16.897 3.506 1.00 0.00 O ATOM 260 CB ARG B 724 -6.004 -18.678 2.970 1.00 0.00 C ATOM 261 CG ARG B 724 -7.130 -19.487 3.635 1.00 0.00 C ATOM 262 CD ARG B 724 -7.017 -20.971 3.269 1.00 0.00 C ATOM 263 NE ARG B 724 -6.910 -21.128 1.825 1.00 0.00 N ATOM 264 CZ ARG B 724 -6.606 -22.299 1.276 1.00 0.00 C ATOM 265 NH1 ARG B 724 -6.398 -23.343 2.031 1.00 0.00 N ATOM 266 NH2 ARG B 724 -6.514 -22.400 -0.021 1.00 0.00 N ATOM 0 H ARG B 724 -5.568 -18.080 5.361 1.00 0.00 H new ATOM 0 HA ARG B 724 -4.377 -19.983 3.527 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -6.239 -17.614 3.011 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -5.928 -18.947 1.917 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -7.079 -19.369 4.717 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -8.099 -19.101 3.317 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -6.144 -21.407 3.755 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -7.890 -21.511 3.637 1.00 0.00 H new ATOM 0 HE ARG B 724 -7.072 -20.321 1.222 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -6.469 -23.261 3.045 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -6.165 -24.241 1.607 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -6.675 -21.582 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -6.281 -23.297 -0.447 1.00 0.00 H new ATOM 280 N LYS B 725 -2.899 -18.544 2.066 1.00 0.00 N ATOM 281 CA LYS B 725 -1.852 -17.774 1.407 1.00 0.00 C ATOM 282 C LYS B 725 -2.462 -16.713 0.497 1.00 0.00 C ATOM 283 O LYS B 725 -1.835 -15.696 0.210 1.00 0.00 O ATOM 284 CB LYS B 725 -0.956 -18.710 0.590 1.00 0.00 C ATOM 285 CG LYS B 725 -1.774 -19.377 -0.521 1.00 0.00 C ATOM 286 CD LYS B 725 -0.898 -20.381 -1.273 1.00 0.00 C ATOM 287 CE LYS B 725 -1.716 -21.036 -2.386 1.00 0.00 C ATOM 288 NZ LYS B 725 -0.860 -22.000 -3.134 1.00 0.00 N ATOM 0 H LYS B 725 -3.037 -19.482 1.690 1.00 0.00 H new ATOM 0 HA LYS B 725 -1.252 -17.275 2.169 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -0.128 -18.149 0.157 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -0.521 -19.470 1.239 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -2.640 -19.883 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -2.153 -18.622 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -0.028 -19.877 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -0.525 -21.140 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -2.578 -21.552 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -2.102 -20.275 -3.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -1.418 -22.445 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -0.051 -21.496 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -0.513 -22.733 -2.483 1.00 0.00 H new ATOM 302 N GLU B 726 -3.687 -16.957 0.049 1.00 0.00 N ATOM 303 CA GLU B 726 -4.369 -16.013 -0.828 1.00 0.00 C ATOM 304 C GLU B 726 -4.588 -14.684 -0.112 1.00 0.00 C ATOM 305 O GLU B 726 -4.421 -13.615 -0.701 1.00 0.00 O ATOM 306 CB GLU B 726 -5.720 -16.588 -1.262 1.00 0.00 C ATOM 307 CG GLU B 726 -5.499 -17.847 -2.106 1.00 0.00 C ATOM 308 CD GLU B 726 -4.809 -17.486 -3.419 1.00 0.00 C ATOM 309 OE1 GLU B 726 -4.856 -16.325 -3.790 1.00 0.00 O ATOM 310 OE2 GLU B 726 -4.245 -18.376 -4.033 1.00 0.00 O ATOM 0 H GLU B 726 -4.225 -17.793 0.276 1.00 0.00 H new ATOM 0 HA GLU B 726 -3.746 -15.844 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -6.323 -16.827 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -6.274 -15.846 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -4.892 -18.563 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -6.455 -18.330 -2.310 1.00 0.00 H new ATOM 317 N PHE B 727 -4.958 -14.758 1.161 1.00 0.00 N ATOM 318 CA PHE B 727 -5.192 -13.554 1.950 1.00 0.00 C ATOM 319 C PHE B 727 -3.922 -12.710 2.026 1.00 0.00 C ATOM 320 O PHE B 727 -3.965 -11.492 1.862 1.00 0.00 O ATOM 321 CB PHE B 727 -5.657 -13.932 3.358 1.00 0.00 C ATOM 322 CG PHE B 727 -5.896 -12.676 4.164 1.00 0.00 C ATOM 323 CD1 PHE B 727 -6.998 -11.862 3.874 1.00 0.00 C ATOM 324 CD2 PHE B 727 -5.019 -12.323 5.197 1.00 0.00 C ATOM 325 CE1 PHE B 727 -7.223 -10.697 4.615 1.00 0.00 C ATOM 326 CE2 PHE B 727 -5.243 -11.157 5.940 1.00 0.00 C ATOM 327 CZ PHE B 727 -6.346 -10.344 5.649 1.00 0.00 C ATOM 0 H PHE B 727 -5.102 -15.632 1.666 1.00 0.00 H new ATOM 0 HA PHE B 727 -5.971 -12.966 1.465 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -6.572 -14.522 3.304 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -4.906 -14.553 3.846 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -7.675 -12.134 3.078 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -4.169 -12.950 5.421 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -8.073 -10.070 4.390 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -4.566 -10.885 6.736 1.00 0.00 H new ATOM 0 HZ PHE B 727 -6.520 -9.445 6.222 1.00 0.00 H new ATOM 337 N ALA B 728 -2.793 -13.366 2.275 1.00 0.00 N ATOM 338 CA ALA B 728 -1.516 -12.669 2.370 1.00 0.00 C ATOM 339 C ALA B 728 -1.176 -11.993 1.044 1.00 0.00 C ATOM 340 O ALA B 728 -0.646 -10.884 1.026 1.00 0.00 O ATOM 341 CB ALA B 728 -0.411 -13.661 2.738 1.00 0.00 C ATOM 0 H ALA B 728 -2.737 -14.375 2.414 1.00 0.00 H new ATOM 0 HA ALA B 728 -1.593 -11.905 3.144 1.00 0.00 H new ATOM 0 HB1 ALA B 728 0.541 -13.135 2.808 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -0.642 -14.123 3.698 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -0.344 -14.432 1.971 1.00 0.00 H new ATOM 347 N LYS B 729 -1.487 -12.664 -0.060 1.00 0.00 N ATOM 348 CA LYS B 729 -1.207 -12.109 -1.381 1.00 0.00 C ATOM 349 C LYS B 729 -1.982 -10.813 -1.596 1.00 0.00 C ATOM 350 O LYS B 729 -1.442 -9.836 -2.115 1.00 0.00 O ATOM 351 CB LYS B 729 -1.586 -13.117 -2.469 1.00 0.00 C ATOM 352 CG LYS B 729 -0.583 -14.273 -2.473 1.00 0.00 C ATOM 353 CD LYS B 729 -0.996 -15.302 -3.529 1.00 0.00 C ATOM 354 CE LYS B 729 -0.051 -16.503 -3.470 1.00 0.00 C ATOM 355 NZ LYS B 729 1.343 -16.051 -3.742 1.00 0.00 N ATOM 0 H LYS B 729 -1.928 -13.583 -0.068 1.00 0.00 H new ATOM 0 HA LYS B 729 -0.140 -11.896 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -2.592 -13.497 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -1.596 -12.628 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS B 729 0.418 -13.899 -2.686 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -0.546 -14.740 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -2.022 -15.625 -3.355 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -0.967 -14.852 -4.521 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -0.107 -16.976 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -0.351 -17.252 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 1.936 -16.874 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 1.343 -15.390 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 1.723 -15.573 -2.900 1.00 0.00 H new ATOM 369 N PHE B 730 -3.245 -10.806 -1.184 1.00 0.00 N ATOM 370 CA PHE B 730 -4.078 -9.622 -1.328 1.00 0.00 C ATOM 371 C PHE B 730 -3.476 -8.455 -0.553 1.00 0.00 C ATOM 372 O PHE B 730 -3.421 -7.328 -1.048 1.00 0.00 O ATOM 373 CB PHE B 730 -5.486 -9.916 -0.817 1.00 0.00 C ATOM 374 CG PHE B 730 -6.330 -8.672 -0.938 1.00 0.00 C ATOM 375 CD1 PHE B 730 -6.792 -8.265 -2.194 1.00 0.00 C ATOM 376 CD2 PHE B 730 -6.647 -7.926 0.202 1.00 0.00 C ATOM 377 CE1 PHE B 730 -7.572 -7.110 -2.309 1.00 0.00 C ATOM 378 CE2 PHE B 730 -7.427 -6.772 0.087 1.00 0.00 C ATOM 379 CZ PHE B 730 -7.890 -6.362 -1.169 1.00 0.00 C ATOM 0 H PHE B 730 -3.711 -11.603 -0.750 1.00 0.00 H new ATOM 0 HA PHE B 730 -4.128 -9.352 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -5.931 -10.729 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.447 -10.243 0.222 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -6.547 -8.842 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -6.289 -8.242 1.171 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -7.929 -6.795 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -7.673 -6.196 0.967 1.00 0.00 H new ATOM 0 HZ PHE B 730 -8.492 -5.470 -1.258 1.00 0.00 H new ATOM 389 N GLU B 731 -3.024 -8.733 0.665 1.00 0.00 N ATOM 390 CA GLU B 731 -2.426 -7.702 1.501 1.00 0.00 C ATOM 391 C GLU B 731 -1.229 -7.064 0.800 1.00 0.00 C ATOM 392 O GLU B 731 -1.070 -5.844 0.816 1.00 0.00 O ATOM 393 CB GLU B 731 -1.980 -8.311 2.834 1.00 0.00 C ATOM 394 CG GLU B 731 -3.209 -8.657 3.677 1.00 0.00 C ATOM 395 CD GLU B 731 -2.769 -9.314 4.981 1.00 0.00 C ATOM 396 OE1 GLU B 731 -1.867 -10.135 4.933 1.00 0.00 O ATOM 397 OE2 GLU B 731 -3.338 -8.985 6.009 1.00 0.00 O ATOM 0 H GLU B 731 -3.060 -9.658 1.092 1.00 0.00 H new ATOM 0 HA GLU B 731 -3.172 -6.929 1.684 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.385 -9.207 2.655 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -1.344 -7.608 3.372 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -3.783 -7.755 3.889 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -3.865 -9.329 3.123 1.00 0.00 H new ATOM 404 N GLU B 732 -0.393 -7.892 0.183 1.00 0.00 N ATOM 405 CA GLU B 732 0.779 -7.389 -0.521 1.00 0.00 C ATOM 406 C GLU B 732 0.361 -6.488 -1.679 1.00 0.00 C ATOM 407 O GLU B 732 1.009 -5.480 -1.959 1.00 0.00 O ATOM 408 CB GLU B 732 1.601 -8.561 -1.055 1.00 0.00 C ATOM 409 CG GLU B 732 2.171 -9.351 0.123 1.00 0.00 C ATOM 410 CD GLU B 732 2.983 -10.536 -0.387 1.00 0.00 C ATOM 411 OE1 GLU B 732 3.057 -10.702 -1.594 1.00 0.00 O ATOM 412 OE2 GLU B 732 3.520 -11.259 0.435 1.00 0.00 O ATOM 0 H GLU B 732 -0.504 -8.906 0.156 1.00 0.00 H new ATOM 0 HA GLU B 732 1.382 -6.807 0.176 1.00 0.00 H new ATOM 0 HB2 GLU B 732 0.978 -9.206 -1.674 1.00 0.00 H new ATOM 0 HB3 GLU B 732 2.409 -8.196 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU B 732 2.801 -8.704 0.734 1.00 0.00 H new ATOM 0 HG3 GLU B 732 1.361 -9.703 0.761 1.00 0.00 H new ATOM 419 N GLU B 733 -0.727 -6.857 -2.346 1.00 0.00 N ATOM 420 CA GLU B 733 -1.227 -6.072 -3.470 1.00 0.00 C ATOM 421 C GLU B 733 -1.709 -4.704 -2.998 1.00 0.00 C ATOM 422 O GLU B 733 -1.568 -3.708 -3.708 1.00 0.00 O ATOM 423 CB GLU B 733 -2.375 -6.814 -4.159 1.00 0.00 C ATOM 424 CG GLU B 733 -1.830 -8.056 -4.866 1.00 0.00 C ATOM 425 CD GLU B 733 -2.979 -8.868 -5.455 1.00 0.00 C ATOM 426 OE1 GLU B 733 -4.113 -8.441 -5.315 1.00 0.00 O ATOM 427 OE2 GLU B 733 -2.707 -9.905 -6.038 1.00 0.00 O ATOM 0 H GLU B 733 -1.277 -7.689 -2.130 1.00 0.00 H new ATOM 0 HA GLU B 733 -0.412 -5.930 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -3.128 -7.102 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -2.865 -6.159 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -1.140 -7.761 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -1.266 -8.667 -4.162 1.00 0.00 H new ATOM 434 N ARG B 734 -2.279 -4.663 -1.799 1.00 0.00 N ATOM 435 CA ARG B 734 -2.779 -3.410 -1.247 1.00 0.00 C ATOM 436 C ARG B 734 -1.644 -2.405 -1.086 1.00 0.00 C ATOM 437 O ARG B 734 -1.788 -1.231 -1.425 1.00 0.00 O ATOM 438 CB ARG B 734 -3.427 -3.669 0.114 1.00 0.00 C ATOM 439 CG ARG B 734 -4.036 -2.370 0.650 1.00 0.00 C ATOM 440 CD ARG B 734 -4.761 -2.647 1.967 1.00 0.00 C ATOM 441 NE ARG B 734 -5.313 -1.406 2.507 1.00 0.00 N ATOM 442 CZ ARG B 734 -6.509 -0.961 2.134 1.00 0.00 C ATOM 443 NH1 ARG B 734 -7.216 -1.631 1.265 1.00 0.00 N ATOM 444 NH2 ARG B 734 -6.976 0.150 2.635 1.00 0.00 N ATOM 0 H ARG B 734 -2.406 -5.475 -1.195 1.00 0.00 H new ATOM 0 HA ARG B 734 -3.518 -2.998 -1.934 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -4.199 -4.433 0.021 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -2.684 -4.050 0.815 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -3.254 -1.626 0.803 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -4.732 -1.955 -0.079 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -5.561 -3.370 1.806 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -4.071 -3.090 2.685 1.00 0.00 H new ATOM 0 HE ARG B 734 -4.770 -0.870 3.184 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -6.851 -2.498 0.871 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -8.133 -1.288 0.980 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -6.423 0.676 3.312 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -7.893 0.492 2.349 1.00 0.00 H new ATOM 458 N ALA B 735 -0.516 -2.875 -0.565 1.00 0.00 N ATOM 459 CA ALA B 735 0.640 -2.007 -0.362 1.00 0.00 C ATOM 460 C ALA B 735 1.173 -1.499 -1.698 1.00 0.00 C ATOM 461 O ALA B 735 1.558 -0.337 -1.822 1.00 0.00 O ATOM 462 CB ALA B 735 1.742 -2.765 0.377 1.00 0.00 C ATOM 0 H ALA B 735 -0.377 -3.844 -0.277 1.00 0.00 H new ATOM 0 HA ALA B 735 0.326 -1.152 0.237 1.00 0.00 H new ATOM 0 HB1 ALA B 735 2.600 -2.109 0.523 1.00 0.00 H new ATOM 0 HB2 ALA B 735 1.369 -3.096 1.346 1.00 0.00 H new ATOM 0 HB3 ALA B 735 2.044 -3.632 -0.211 1.00 0.00 H new ATOM 468 N ARG B 736 1.189 -2.376 -2.697 1.00 0.00 N ATOM 469 CA ARG B 736 1.667 -2.008 -4.018 1.00 0.00 C ATOM 470 C ARG B 736 0.809 -0.898 -4.610 1.00 0.00 C ATOM 471 O ARG B 736 1.283 -0.091 -5.410 1.00 0.00 O ATOM 472 CB ARG B 736 1.644 -3.227 -4.934 1.00 0.00 C ATOM 473 CG ARG B 736 2.756 -4.192 -4.525 1.00 0.00 C ATOM 474 CD ARG B 736 2.763 -5.400 -5.463 1.00 0.00 C ATOM 475 NE ARG B 736 3.842 -6.315 -5.106 1.00 0.00 N ATOM 476 CZ ARG B 736 3.998 -7.475 -5.737 1.00 0.00 C ATOM 477 NH1 ARG B 736 3.177 -7.813 -6.693 1.00 0.00 N ATOM 478 NH2 ARG B 736 4.973 -8.275 -5.402 1.00 0.00 N ATOM 0 H ARG B 736 0.877 -3.343 -2.614 1.00 0.00 H new ATOM 0 HA ARG B 736 2.690 -1.643 -3.928 1.00 0.00 H new ATOM 0 HB2 ARG B 736 0.676 -3.724 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG B 736 1.778 -2.919 -5.971 1.00 0.00 H new ATOM 0 HG2 ARG B 736 3.721 -3.686 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG B 736 2.606 -4.519 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG B 736 1.805 -5.917 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG B 736 2.886 -5.067 -6.494 1.00 0.00 H new ATOM 0 HE ARG B 736 4.488 -6.060 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG B 736 2.416 -7.187 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG B 736 3.297 -8.703 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG B 736 5.616 -8.011 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG B 736 5.092 -9.165 -5.886 1.00 0.00 H new ATOM 598 N ASN B 744 5.048 8.361 -8.730 1.00 0.00 N ATOM 599 CA ASN B 744 5.461 8.497 -10.115 1.00 0.00 C ATOM 600 C ASN B 744 6.632 9.480 -10.234 1.00 0.00 C ATOM 601 O ASN B 744 6.723 10.439 -9.465 1.00 0.00 O ATOM 602 CB ASN B 744 4.294 8.970 -10.994 1.00 0.00 C ATOM 603 CG ASN B 744 3.357 7.801 -11.298 1.00 0.00 C ATOM 604 OD1 ASN B 744 3.520 6.667 -10.675 1.00 0.00 O flip ATOM 605 ND2 ASN B 744 2.456 7.926 -12.126 1.00 0.00 N flip ATOM 0 HA ASN B 744 5.783 7.516 -10.464 1.00 0.00 H new ATOM 0 HB2 ASN B 744 3.745 9.764 -10.487 1.00 0.00 H new ATOM 0 HB3 ASN B 744 4.676 9.391 -11.924 1.00 0.00 H new ATOM 0 HD21 ASN B 744 2.330 8.814 -12.612 1.00 0.00 H new ATOM 0 HD22 ASN B 744 1.835 7.142 -12.326 1.00 0.00 H new ATOM 612 N PRO B 745 7.525 9.265 -11.172 1.00 0.00 N ATOM 613 CA PRO B 745 8.705 10.154 -11.379 1.00 0.00 C ATOM 614 C PRO B 745 8.326 11.623 -11.355 1.00 0.00 C ATOM 615 O PRO B 745 9.095 12.470 -10.904 1.00 0.00 O ATOM 616 CB PRO B 745 9.215 9.767 -12.776 1.00 0.00 C ATOM 617 CG PRO B 745 8.762 8.359 -12.994 1.00 0.00 C ATOM 618 CD PRO B 745 7.515 8.149 -12.130 1.00 0.00 C ATOM 0 HA PRO B 745 9.446 10.028 -10.590 1.00 0.00 H new ATOM 0 HB2 PRO B 745 8.810 10.432 -13.539 1.00 0.00 H new ATOM 0 HB3 PRO B 745 10.301 9.842 -12.832 1.00 0.00 H new ATOM 0 HG2 PRO B 745 8.536 8.186 -14.046 1.00 0.00 H new ATOM 0 HG3 PRO B 745 9.546 7.655 -12.716 1.00 0.00 H new ATOM 0 HD2 PRO B 745 6.609 8.157 -12.736 1.00 0.00 H new ATOM 0 HD3 PRO B 745 7.547 7.188 -11.617 1.00 0.00 H new ATOM 626 N LEU B 746 7.143 11.910 -11.849 1.00 0.00 N ATOM 627 CA LEU B 746 6.670 13.284 -11.894 1.00 0.00 C ATOM 628 C LEU B 746 6.692 13.891 -10.499 1.00 0.00 C ATOM 629 O LEU B 746 6.942 15.086 -10.332 1.00 0.00 O ATOM 630 CB LEU B 746 5.246 13.330 -12.441 1.00 0.00 C ATOM 631 CG LEU B 746 5.178 12.609 -13.792 1.00 0.00 C ATOM 632 CD1 LEU B 746 3.741 12.664 -14.319 1.00 0.00 C ATOM 633 CD2 LEU B 746 6.124 13.285 -14.797 1.00 0.00 C ATOM 0 H LEU B 746 6.492 11.220 -12.224 1.00 0.00 H new ATOM 0 HA LEU B 746 7.328 13.856 -12.548 1.00 0.00 H new ATOM 0 HB2 LEU B 746 4.561 12.861 -11.735 1.00 0.00 H new ATOM 0 HB3 LEU B 746 4.925 14.365 -12.556 1.00 0.00 H new ATOM 0 HG LEU B 746 5.484 11.571 -13.664 1.00 0.00 H new ATOM 0 HD11 LEU B 746 3.686 12.153 -15.280 1.00 0.00 H new ATOM 0 HD12 LEU B 746 3.074 12.175 -13.609 1.00 0.00 H new ATOM 0 HD13 LEU B 746 3.439 13.704 -14.443 1.00 0.00 H new ATOM 0 HD21 LEU B 746 6.069 12.766 -15.754 1.00 0.00 H new ATOM 0 HD22 LEU B 746 5.829 14.326 -14.931 1.00 0.00 H new ATOM 0 HD23 LEU B 746 7.146 13.243 -14.420 1.00 0.00 H new ATOM 645 N TYR B 747 6.423 13.065 -9.499 1.00 0.00 N ATOM 646 CA TYR B 747 6.409 13.533 -8.118 1.00 0.00 C ATOM 647 C TYR B 747 7.780 14.057 -7.710 1.00 0.00 C ATOM 648 O TYR B 747 7.894 15.128 -7.115 1.00 0.00 O ATOM 649 CB TYR B 747 6.002 12.392 -7.191 1.00 0.00 C ATOM 650 CG TYR B 747 6.047 12.865 -5.754 1.00 0.00 C ATOM 651 CD1 TYR B 747 5.038 13.704 -5.261 1.00 0.00 C ATOM 652 CD2 TYR B 747 7.094 12.464 -4.916 1.00 0.00 C ATOM 653 CE1 TYR B 747 5.079 14.140 -3.931 1.00 0.00 C ATOM 654 CE2 TYR B 747 7.134 12.900 -3.586 1.00 0.00 C ATOM 655 CZ TYR B 747 6.127 13.739 -3.093 1.00 0.00 C ATOM 656 OH TYR B 747 6.167 14.170 -1.782 1.00 0.00 O ATOM 0 H TYR B 747 6.213 12.074 -9.615 1.00 0.00 H new ATOM 0 HA TYR B 747 5.688 14.346 -8.038 1.00 0.00 H new ATOM 0 HB2 TYR B 747 4.998 12.048 -7.440 1.00 0.00 H new ATOM 0 HB3 TYR B 747 6.672 11.543 -7.326 1.00 0.00 H new ATOM 0 HD1 TYR B 747 4.230 14.014 -5.907 1.00 0.00 H new ATOM 0 HD2 TYR B 747 7.872 11.818 -5.296 1.00 0.00 H new ATOM 0 HE1 TYR B 747 4.302 14.786 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR B 747 7.942 12.589 -2.940 1.00 0.00 H new ATOM 0 HH TYR B 747 6.959 13.799 -1.340 1.00 0.00 H new ATOM 666 N LYS B 748 8.817 13.300 -8.037 1.00 0.00 N ATOM 667 CA LYS B 748 10.168 13.691 -7.710 1.00 0.00 C ATOM 668 C LYS B 748 10.550 14.955 -8.480 1.00 0.00 C ATOM 669 O LYS B 748 11.204 15.848 -7.942 1.00 0.00 O ATOM 670 CB LYS B 748 11.125 12.525 -8.034 1.00 0.00 C ATOM 671 CG LYS B 748 12.532 13.061 -8.269 1.00 0.00 C ATOM 672 CD LYS B 748 13.565 11.931 -8.218 1.00 0.00 C ATOM 673 CE LYS B 748 14.970 12.524 -8.372 1.00 0.00 C ATOM 674 NZ LYS B 748 15.130 13.082 -9.746 1.00 0.00 N ATOM 0 H LYS B 748 8.742 12.410 -8.530 1.00 0.00 H new ATOM 0 HA LYS B 748 10.242 13.917 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS B 748 11.131 11.809 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS B 748 10.777 11.992 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS B 748 12.579 13.558 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS B 748 12.770 13.811 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS B 748 13.486 11.393 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS B 748 13.373 11.210 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS B 748 15.129 13.307 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS B 748 15.722 11.756 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 16.140 13.234 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 14.738 12.414 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 14.624 13.988 -9.814 1.00 0.00 H new ATOM 688 N GLU B 749 10.148 15.014 -9.744 1.00 0.00 N ATOM 689 CA GLU B 749 10.462 16.164 -10.582 1.00 0.00 C ATOM 690 C GLU B 749 9.930 17.446 -9.955 1.00 0.00 C ATOM 691 O GLU B 749 10.527 18.512 -10.097 1.00 0.00 O ATOM 692 CB GLU B 749 9.854 15.981 -11.976 1.00 0.00 C ATOM 693 CG GLU B 749 10.542 14.813 -12.691 1.00 0.00 C ATOM 694 CD GLU B 749 12.001 15.153 -12.978 1.00 0.00 C ATOM 695 OE1 GLU B 749 12.320 16.331 -13.009 1.00 0.00 O ATOM 696 OE2 GLU B 749 12.779 14.231 -13.162 1.00 0.00 O ATOM 0 H GLU B 749 9.608 14.284 -10.208 1.00 0.00 H new ATOM 0 HA GLU B 749 11.546 16.239 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU B 749 8.784 15.790 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU B 749 9.971 16.896 -12.557 1.00 0.00 H new ATOM 0 HG2 GLU B 749 10.485 13.916 -12.074 1.00 0.00 H new ATOM 0 HG3 GLU B 749 10.023 14.592 -13.624 1.00 0.00 H new ATOM 703 N ALA B 750 8.812 17.333 -9.256 1.00 0.00 N ATOM 704 CA ALA B 750 8.213 18.492 -8.608 1.00 0.00 C ATOM 705 C ALA B 750 9.205 19.143 -7.648 1.00 0.00 C ATOM 706 O ALA B 750 9.387 20.360 -7.662 1.00 0.00 O ATOM 707 CB ALA B 750 6.960 18.066 -7.843 1.00 0.00 C ATOM 0 H ALA B 750 8.303 16.459 -9.122 1.00 0.00 H new ATOM 0 HA ALA B 750 7.942 19.218 -9.375 1.00 0.00 H new ATOM 0 HB1 ALA B 750 6.515 18.936 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA B 750 6.241 17.629 -8.536 1.00 0.00 H new ATOM 0 HB3 ALA B 750 7.229 17.329 -7.086 1.00 0.00 H new ATOM 713 N THR B 751 9.849 18.327 -6.819 1.00 0.00 N ATOM 714 CA THR B 751 10.821 18.834 -5.864 1.00 0.00 C ATOM 715 C THR B 751 12.047 19.387 -6.584 1.00 0.00 C ATOM 716 O THR B 751 12.641 20.375 -6.153 1.00 0.00 O ATOM 717 CB THR B 751 11.240 17.712 -4.918 1.00 0.00 C ATOM 718 OG1 THR B 751 11.583 16.560 -5.673 1.00 0.00 O ATOM 719 CG2 THR B 751 10.087 17.384 -3.967 1.00 0.00 C ATOM 0 H THR B 751 9.714 17.316 -6.791 1.00 0.00 H new ATOM 0 HA THR B 751 10.362 19.642 -5.294 1.00 0.00 H new ATOM 0 HB THR B 751 12.104 18.032 -4.335 1.00 0.00 H new ATOM 0 HG1 THR B 751 11.455 16.744 -6.627 1.00 0.00 H new ATOM 0 HG21 THR B 751 10.388 16.583 -3.292 1.00 0.00 H new ATOM 0 HG22 THR B 751 9.831 18.270 -3.386 1.00 0.00 H new ATOM 0 HG23 THR B 751 9.219 17.065 -4.544 1.00 0.00 H new ATOM 727 N SER B 752 12.423 18.739 -7.682 1.00 0.00 N ATOM 728 CA SER B 752 13.581 19.169 -8.456 1.00 0.00 C ATOM 729 C SER B 752 13.395 20.599 -8.946 1.00 0.00 C ATOM 730 O SER B 752 14.364 21.345 -9.100 1.00 0.00 O ATOM 731 CB SER B 752 13.790 18.238 -9.651 1.00 0.00 C ATOM 732 OG SER B 752 14.953 18.640 -10.363 1.00 0.00 O ATOM 0 H SER B 752 11.945 17.918 -8.054 1.00 0.00 H new ATOM 0 HA SER B 752 14.459 19.129 -7.812 1.00 0.00 H new ATOM 0 HB2 SER B 752 13.896 17.208 -9.310 1.00 0.00 H new ATOM 0 HB3 SER B 752 12.920 18.268 -10.307 1.00 0.00 H new ATOM 0 HG SER B 752 15.090 18.044 -11.129 1.00 0.00 H new ATOM 738 N THR B 753 12.147 20.973 -9.195 1.00 0.00 N ATOM 739 CA THR B 753 11.842 22.316 -9.674 1.00 0.00 C ATOM 740 C THR B 753 12.248 23.362 -8.642 1.00 0.00 C ATOM 741 O THR B 753 12.859 24.371 -8.980 1.00 0.00 O ATOM 742 CB THR B 753 10.345 22.441 -9.965 1.00 0.00 C ATOM 743 OG1 THR B 753 9.987 21.535 -10.998 1.00 0.00 O ATOM 744 CG2 THR B 753 10.026 23.871 -10.405 1.00 0.00 C ATOM 0 H THR B 753 11.333 20.370 -9.074 1.00 0.00 H new ATOM 0 HA THR B 753 12.407 22.488 -10.590 1.00 0.00 H new ATOM 0 HB THR B 753 9.779 22.206 -9.063 1.00 0.00 H new ATOM 0 HG1 THR B 753 10.131 20.616 -10.691 1.00 0.00 H new ATOM 0 HG21 THR B 753 8.959 23.959 -10.612 1.00 0.00 H new ATOM 0 HG22 THR B 753 10.300 24.566 -9.611 1.00 0.00 H new ATOM 0 HG23 THR B 753 10.591 24.109 -11.306 1.00 0.00 H new ATOM 752 N PHE B 754 11.911 23.105 -7.387 1.00 0.00 N ATOM 753 CA PHE B 754 12.243 24.025 -6.303 1.00 0.00 C ATOM 754 C PHE B 754 13.749 24.226 -6.221 1.00 0.00 C ATOM 755 O PHE B 754 14.226 25.337 -5.985 1.00 0.00 O ATOM 756 CB PHE B 754 11.728 23.479 -4.970 1.00 0.00 C ATOM 757 CG PHE B 754 11.946 24.509 -3.886 1.00 0.00 C ATOM 758 CD1 PHE B 754 11.019 25.543 -3.706 1.00 0.00 C ATOM 759 CD2 PHE B 754 13.077 24.431 -3.064 1.00 0.00 C ATOM 760 CE1 PHE B 754 11.223 26.499 -2.702 1.00 0.00 C ATOM 761 CE2 PHE B 754 13.280 25.386 -2.061 1.00 0.00 C ATOM 762 CZ PHE B 754 12.354 26.420 -1.880 1.00 0.00 C ATOM 0 H PHE B 754 11.408 22.268 -7.091 1.00 0.00 H new ATOM 0 HA PHE B 754 11.766 24.983 -6.508 1.00 0.00 H new ATOM 0 HB2 PHE B 754 10.668 23.237 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE B 754 12.248 22.555 -4.718 1.00 0.00 H new ATOM 0 HD1 PHE B 754 10.147 25.604 -4.341 1.00 0.00 H new ATOM 0 HD2 PHE B 754 13.792 23.634 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE B 754 10.508 27.296 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE B 754 14.152 25.325 -1.426 1.00 0.00 H new ATOM 0 HZ PHE B 754 12.512 27.157 -1.106 1.00 0.00 H new ATOM 772 N THR B 755 14.495 23.144 -6.409 1.00 0.00 N ATOM 773 CA THR B 755 15.946 23.215 -6.344 1.00 0.00 C ATOM 774 C THR B 755 16.468 24.259 -7.324 1.00 0.00 C ATOM 775 O THR B 755 17.366 25.036 -7.001 1.00 0.00 O ATOM 776 CB THR B 755 16.557 21.851 -6.673 1.00 0.00 C ATOM 777 OG1 THR B 755 15.891 20.847 -5.921 1.00 0.00 O ATOM 778 CG2 THR B 755 18.047 21.853 -6.319 1.00 0.00 C ATOM 0 H THR B 755 14.122 22.215 -6.606 1.00 0.00 H new ATOM 0 HA THR B 755 16.233 23.501 -5.332 1.00 0.00 H new ATOM 0 HB THR B 755 16.443 21.648 -7.738 1.00 0.00 H new ATOM 0 HG1 THR B 755 16.278 19.971 -6.130 1.00 0.00 H new ATOM 0 HG21 THR B 755 18.478 20.880 -6.555 1.00 0.00 H new ATOM 0 HG22 THR B 755 18.557 22.625 -6.895 1.00 0.00 H new ATOM 0 HG23 THR B 755 18.168 22.055 -5.255 1.00 0.00 H new ATOM 786 N ASN B 756 15.905 24.270 -8.521 1.00 0.00 N ATOM 787 CA ASN B 756 16.328 25.224 -9.537 1.00 0.00 C ATOM 788 C ASN B 756 16.040 26.661 -9.099 1.00 0.00 C ATOM 789 O ASN B 756 16.902 27.533 -9.210 1.00 0.00 O ATOM 790 CB ASN B 756 15.593 24.944 -10.851 1.00 0.00 C ATOM 791 CG ASN B 756 15.989 25.975 -11.904 1.00 0.00 C ATOM 792 OD1 ASN B 756 16.940 26.731 -11.709 1.00 0.00 O ATOM 793 ND2 ASN B 756 15.309 26.051 -13.017 1.00 0.00 N ATOM 0 H ASN B 756 15.161 23.636 -8.813 1.00 0.00 H new ATOM 0 HA ASN B 756 17.403 25.110 -9.678 1.00 0.00 H new ATOM 0 HB2 ASN B 756 15.833 23.941 -11.204 1.00 0.00 H new ATOM 0 HB3 ASN B 756 14.516 24.975 -10.688 1.00 0.00 H new ATOM 0 HD21 ASN B 756 15.566 26.738 -13.726 1.00 0.00 H new ATOM 0 HD22 ASN B 756 14.521 25.424 -13.177 1.00 0.00 H new ATOM 800 N ILE B 757 14.820 26.908 -8.616 1.00 0.00 N ATOM 801 CA ILE B 757 14.438 28.253 -8.186 1.00 0.00 C ATOM 802 C ILE B 757 15.249 28.683 -6.977 1.00 0.00 C ATOM 803 O ILE B 757 15.775 29.795 -6.925 1.00 0.00 O ATOM 804 CB ILE B 757 12.949 28.281 -7.828 1.00 0.00 C ATOM 805 CG1 ILE B 757 12.163 27.664 -8.987 1.00 0.00 C ATOM 806 CG2 ILE B 757 12.498 29.733 -7.607 1.00 0.00 C ATOM 807 CD1 ILE B 757 10.672 28.008 -8.882 1.00 0.00 C ATOM 0 H ILE B 757 14.089 26.204 -8.514 1.00 0.00 H new ATOM 0 HA ILE B 757 14.635 28.942 -9.007 1.00 0.00 H new ATOM 0 HB ILE B 757 12.771 27.716 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE B 757 12.559 28.029 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE B 757 12.292 26.582 -8.983 1.00 0.00 H new ATOM 0 HG21 ILE B 757 11.438 29.750 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE B 757 13.074 30.173 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE B 757 12.661 30.308 -8.519 1.00 0.00 H new ATOM 0 HD11 ILE B 757 10.135 27.558 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE B 757 10.274 27.621 -7.944 1.00 0.00 H new ATOM 0 HD13 ILE B 757 10.545 29.090 -8.910 1.00 0.00 H new ATOM 819 N THR B 758 15.340 27.786 -6.014 1.00 0.00 N ATOM 820 CA THR B 758 16.083 28.057 -4.789 1.00 0.00 C ATOM 821 C THR B 758 17.572 28.089 -5.081 1.00 0.00 C ATOM 822 O THR B 758 18.376 28.532 -4.258 1.00 0.00 O ATOM 823 CB THR B 758 15.748 26.994 -3.727 1.00 0.00 C ATOM 824 OG1 THR B 758 15.754 27.601 -2.446 1.00 0.00 O ATOM 825 CG2 THR B 758 16.763 25.843 -3.739 1.00 0.00 C ATOM 0 H THR B 758 14.910 26.862 -6.052 1.00 0.00 H new ATOM 0 HA THR B 758 15.793 29.032 -4.398 1.00 0.00 H new ATOM 0 HB THR B 758 14.765 26.584 -3.956 1.00 0.00 H new ATOM 0 HG1 THR B 758 15.070 27.182 -1.882 1.00 0.00 H new ATOM 0 HG21 THR B 758 16.494 25.112 -2.976 1.00 0.00 H new ATOM 0 HG22 THR B 758 16.758 25.364 -4.718 1.00 0.00 H new ATOM 0 HG23 THR B 758 17.759 26.234 -3.531 1.00 0.00 H new